SCHEMBL29956622

SCHEMBL29956622

N#Cc1ccc(Cl)cc1N1CCC[C@H](C(=O)O)C1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.60
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
FFAR1 O14842 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2557467 1.00 NOTUM (0.60) NOTUMKDM4EMEN1ALDH1A1KMT2A
SCHEMBL29955392 1.00 NOTUM (0.60) NOTUMKDM4EMEN1ALDH1A1KMT2A
SCHEMBL2557537 0.93 NOTUM (0.70) NOTUMFFAR1
SCHEMBL29952029 0.85 NOTUM (0.44) NOTUMKDM4EMEN1ALDH1A1KMT2A
SCHEMBL29953020 0.85 NOTUM (0.44) NOTUMKDM4EMEN1ALDH1A1KMT2A
SCHEMBL2557970 0.85 FFAR4 (0.53) NOTUMKDM4EMEN1ALDH1A1KMT2A
SCHEMBL2558210 0.85 NOTUM (0.44) NOTUMKDM4EMEN1ALDH1A1KMT2A
SCHEMBL2556414 0.85 NOTUM (0.58) NOTUMHTR1AADRA1AADRA1B
SCHEMBL15330773 0.83 NOTUM (0.57) NOTUMKDM4EMEN1ALDH1A1KMT2A
SCHEMBL29950827 0.83 NOTUM (0.57) NOTUMKDM4EMEN1ALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed